Geometry & MOs

Info

ID:	17525
PubChem CID:	503147
Reduced:	SCl2N2O6C24H26 (1)
Stoich.:	AB2C2D6E24F26 (1)
Weight, g/mol:	540.088863
ΔH_f, kcal/mol:	-182.13
Dipole, Da:	2.12
IP(EA), eV:	-9.17(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4,4-bis(3-chloro-4-methoxy-5-methoxycarbonylphenyl)but-3-enyl]-N'-methylcarbamimidothioic acid

Drug info:

PubChemData

Smile

CN=C(NCCC=C(C1=CC(=C(C(=C1)Cl)OC)C(=O)OC)C2=CC(=C(C(=C2)Cl)OC)C(=O)OC)S

DOS

IR

Vibrations